2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide

C13H17FN2O3S — CID 35608176

IUPAC2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c1-19-7-6-15-12(17)8-16-13(18)9-20-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyFOLQONFQABGRBT-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.80
Rot. Bonds8

About 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 35608176) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID35608176
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c1-19-7-6-15-12(17)8-16-13(18)9-20-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyFOLQONFQABGRBT-UHFFFAOYSA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654674
2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 43304176
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383
4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80539179
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide (CID 35608176) is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is FOLQONFQABGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-19-7-6-15-12(17)8-16-13(18)9-20-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide?
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 35608176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).